CID 3127274

2-[(pyridin-3-ylmethyl)-amino]-ethanol

Structural Information

Molecular Formula
C8H12N2O
SMILES
C1=CC(=CN=C1)CNCCO
InChI
InChI=1S/C8H12N2O/c11-5-4-10-7-8-2-1-3-9-6-8/h1-3,6,10-11H,4-5,7H2
InChIKey
QOBASENDLSYOKH-UHFFFAOYSA-N
Compound name
2-(pyridin-3-ylmethylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

152.09496 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.102236 131.2
[M+Na]+ 175.084178 137.7
[M-H]- 151.087684 131.9
[M+NH4]+ 170.128783 149.9
[M+K]+ 191.058118 135.4
[M+H-H2O]+ 135.092220 124.5
[M+HCOO]- 197.093161 154.6
[M+CH3COO]- 211.108811 175.1
[M+Na-2H]- 173.069626 139.9
[M]+ 152.09441142 130.0
[M]- 152.09550858 130.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe